3-[(4-aminophenyl)methylsulfanyl]-5-[(4-chlorophenyl)methyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-[(4-aminophenyl)methylsulfanyl]-5-[(4-chlorophenyl)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(4-aminophenyl)methylsulfanyl]-5-[(4-chlorophenyl)methyl]-1,2,4-triazol-4-amine CAS Name: 3-[(4-aminophenyl)methylthio]-5-[(4-chlorophenyl)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-aminophenyl)methylsulfanyl]-5-[(4-chlorophenyl)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(4-aminobenzyl)thio]-5-(4-chlorobenzyl)-1,2,4-triazol-4-yl]amine Formula: C16H16ClN5S MolecularWeight: 345.84974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NN=C(N2N)SCC3=CC=C(C=C3)N)Cl

Isomeric SMILES

C1=CC(=CC=C1CC2=NN=C(N2N)SCC3=CC=C(C=C3)N)Cl

InChI

InChI=1S/C16H16ClN5S/c17-13-5-1-11(2-6-13)9-15-20-21-16(22(15)19)23-10-12-3-7-14(18)8-4-12/h1-8H,9-10,18-19H2